./iterations/neb0_image05_iter3.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
#MD System 2.0
@Title neb0_image05
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.365660628681 0.565847199977 0.41245894259} C1 1 1
14 {} {0.342295457482 0.539146437029 0.523166160851} Si1 2 1
14 {} {0.427447270655 0.576459071536 0.408043158244} Si2 3 1
8 {} {0.355538892466 0.595921724589 0.599197943142} O1 4 1
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8 {} {0.440221568385 0.611726436748 0.50703556103} O3 8 1
8 {} {0.440262361736 0.628223180881 0.324846897802} O4 9 1
14 {} {0.23691458639 0.54177233142 0.55750238838} Si3 10 1
7 {} {0.217296068006 0.463824398155 0.591623655766} N1 11 1
14 {} {0.194810853239 0.455565478334 0.69893820203} Si4 12 1
14 {} {0.217841179931 0.396186881551 0.516548789439} Si5 13 1
7 {} {0.211791176261 0.41748295321 0.406224908261} N2 14 1
7 {} {0.144401704072 0.494552743617 0.719185292954} N3 15 1
1 {} {0.35565093343 0.530067088454 0.360185283058} H1 16 1
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1 {} {0.448925048357 0.472099663495 0.330402100335} H8 23 1
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1 {} {0.472158634134 0.630545792334 0.313555972044} H11 26 1
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1 {} {0.2611538464 0.359597900269 0.522369435217} H16 31 1
1 {} {0.180268118727 0.351418700747 0.543145279499} H17 32 1
1 {} {0.238772922994 0.431969055104 0.370062494825} H18 33 1
1 {} {0.183751651039 0.440698817361 0.383923464105} H19 34 1
1 {} {0.143624204778 0.544141002172 0.734219661728} H20 35 1
1 {} {0.116363828155 0.480822587167 0.685650894441} H21 36 1
6 {} {0.625148925001 0.626858707591 0.350488758841} C4 37 1
14 {} {0.582271406835 0.564289226749 0.387956390642} Si6 38 1
14 {} {0.619551190717 0.715367149784 0.387011767994} Si7 39 1
8 {} {0.532026110208 0.600540736392 0.382482285598} O5 40 1
8 {} {0.582846122251 0.499886702475 0.320821448506} O6 41 1
6 {} {0.593099645511 0.532405752018 0.502787057403} C5 42 1
6 {} {0.637662562343 0.732390540984 0.504194342702} C6 43 1
8 {} {0.564637245133 0.730149229208 0.375456686258} O7 44 1
8 {} {0.647344870087 0.764631644121 0.317190238423} O8 45 1
14 {} {0.576388231306 0.43951373875 0.247819435759} Si8 46 1
7 {} {0.588932159308 0.361365992856 0.290882539051} N4 47 1
14 {} {0.545314512096 0.305119081264 0.314487280658} Si9 48 1
14 {} {0.643500224714 0.336022898942 0.316185894564} Si10 49 1
7 {} {0.68458366677 0.382182033682 0.265011573755} N5 50 1
7 {} {0.521321454067 0.261902018115 0.227443614527} N6 51 1
1 {} {0.658556595719 0.608526986473 0.36929357087} H22 52 1
1 {} {0.624420857422 0.627658432228 0.2768572724} H23 53 1
1 {} {0.534231623953 0.649155521683 0.377661421214} H24 54 1
1 {} {0.625234381843 0.505837961753 0.505480649796} H25 55 1
1 {} {0.567020766464 0.496853661475 0.523139832503} H26 56 1
1 {} {0.594038473362 0.572912744472 0.552421099315} H27 57 1
1 {} {0.632405907327 0.785179566264 0.522392000604} H28 58 1
1 {} {0.673257549737 0.721006685394 0.513590964017} H29 59 1
1 {} {0.618688249954 0.701850429327 0.551980743537} H30 60 1
1 {} {0.554226420079 0.776051846119 0.372601212732} H31 61 1
1 {} {0.665199343836 0.800420475427 0.342282016822} H32 62 1
1 {} {0.528799629221 0.437566087281 0.219175163747} H33 63 1
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1 {} {0.697771574434 0.423041182371 0.295329748921} H39 69 1
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1 {} {0.499232976341 0.285292485299 0.186509986142} H41 71 1
1 {} {0.538831964972 0.226536143794 0.193585458898} H42 72 1
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